Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
The experimentally established mechanism targets of Bromide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 known ✓ | P07550 | 1/20 | 0.32 |
| ▸ | ADCY6 | O43306 | 1/20 | 0.52 |
| ▸ | ADCY3 | O60266 | 1/20 | 0.52 |
| ▸ | ADCY9 | O60503 | 1/20 | 0.52 |
| ▸ | ADCY5 | O95622 | 1/20 | 0.52 |
| ▸ | ADCY8 | P40145 | 1/20 | 0.52 |
| ▸ | ADCY7 | P51828 | 1/20 | 0.52 |
| ▸ | ADCY2 | Q08462 | 1/20 | 0.52 |
| ▸ | ADCY1 | Q08828 | 1/20 | 0.52 |
| ▸ | ADCY4 | Q8NFM4 | 1/20 | 0.52 |
| ▸ | DRD1 | P21728 | 3/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.32 |
| ▸ | HTR2C | P28335 | 4/20 | 0.32 |
| ▸ | HTR2B | P41595 | 4/20 | 0.32 |
| ▸ | HTR2A | P28223 | 2/20 | 0.32 |
| ▸ | KDM1A | O60341 | 2/20 | 0.31 |
| ▸ | MAOA | P21397 | 1/20 | 0.31 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL10561747 | 0.98 | ADCY6 (0.53) | ADCY6ADCY3ADCY9ADCY5ADCY8 | |
| SCHEMBL30889091 | 0.83 | KDM4E (0.37) | ADCY6ADCY3ADCY9ADCY5ADCY8 | |
| SCHEMBL10563469 | 0.77 | ADCY5 (0.59) | ADCY6ADCY3ADCY9ADCY5ADCY8 | |
| Hydrochloric Acid SCHEMBL10350885 | 0.76 | ADCY5 (0.57) | ADCY6ADCY3ADCY9ADCY5ADCY8 | |
| Hydrochloric Acid SCHEMBL10351352 | 0.75 | HTR2C (0.49) | HTR2CHTR2BHTR2AMAOA | |
| SCHEMBL10749365 | 0.74 | DRD1 (0.66) | ADCY6ADCY3ADCY9ADCY5ADCY8 | |
| Bromide SCHEMBL11167892 | 0.73 | ADCY6 (0.95) | ADCY6ADCY3ADCY9ADCY5ADCY8 | |
| SCHEMBL5793449 | 0.71 | ADCY6 (1.00) | ADCY6ADCY3ADCY9ADCY5ADCY8 | |
| SCHEMBL10702234 | 0.66 | ADCY6 (0.57) | ADCY6ADCY3ADCY9ADCY5ADCY8 | |
| Bromide SCHEMBL10350874 | 0.66 | ADCY6 (0.52) | ADCY6ADCY3ADCY9ADCY5ADCY8 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4824839-A | Sulfinyl and sulfonyl substituted 2,3,4,5 tetrahydro-1H-3-benzazepines and their use in treating gastrointestinal motility disorders | SMITHKLINE BECKMAN CORPORATION (US) | 1989-04-25 | — | — | US | disclosed |
| US-4659706-A | Sulfinyl and sulfonyl substituted 3-benzazepines | SMITHKLINE BECKMAN CORPORATION (US) | 1987-04-21 | — | — | US | disclosed |